SCHEMBL4835943

SCHEMBL4835943

CC(=O)OCC(=O)c1cccc2c(Br)cccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PRNP P04156 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
AHR P35869 1/20 0.45
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.41
PTPN1 P18031 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HPGDS O60760 1/20 0.38
MITF O75030 1/20 0.38
NOD1 Q9Y239 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19339818 0.91 LMNA (0.55) LMNAPRNPMEN1KMT2AALDH1A1
SCHEMBL4828442 0.81 NPC1 (0.59) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL27871000 0.78 KMT2A (0.61) LMNAPRNPMEN1KMT2AAHR
SCHEMBL7603312 0.77 NPC1 (0.50) PRNPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4828397 0.77 LMNA (0.44) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4519224 0.76 PTPN1 (0.65) LMNAPRNPMEN1KMT2AAHR
SCHEMBL4837018 0.76 PRNP (0.54) LMNAPRNPMEN1KMT2AAHR
SCHEMBL30530505 0.76 KMT2A (0.59) PRNPMEN1KMT2AAHRALDH1A1
SCHEMBL1294284 0.76 KMT2A (0.59) PRNPMEN1KMT2AAHRALDH1A1
SCHEMBL14065383 0.75 LMNA (0.55) LMNAMEN1KMT2AALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
CN-1633291-A 2-oxazolamines and their use as 5-HT2BUse of receptor antagonists PHARMAGENE LAB LTD (GB) 2005-06-29 CN disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B LMNA 4134/4885PRNP 2489/4885MEN1 3602/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C LMNA 3528/4885PRNP 3232/4885MEN1 3931/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.